SCHEMBL15313671

SCHEMBL15313671

CCCCCCCCCCC(=O)c1cc(C(C)C)c(O)c(O)c1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.54
PLA2G5 P39877 2/20 0.54
FFAR1 O14842 1/20 0.54
HTT P42858 2/20 0.48
BCL2 P10415 2/20 0.47
MCL1 Q07820 1/20 0.47
HSD17B3 P37058 6/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
ELANE P08246 4/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15313675 1.00 PLA2G2A (0.54) PLA2G2APLA2G5FFAR1HTTBCL2
SCHEMBL15313668 0.98 PLA2G2A (0.51) PLA2G2APLA2G5FFAR1HTTBCL2
SCHEMBL9468232 0.89 PLA2G2A (0.55) PLA2G2APLA2G5FFAR1HTTHSD17B3
SCHEMBL15314352 0.80 BCL2 (0.54) BCL2MCL1MEN1KMT2A
SCHEMBL15313680 0.79 FFAR1 (0.45) PLA2G2APLA2G5FFAR1HTTHSD17B3
SCHEMBL7775778 0.78 PLA2G2A (0.53) PLA2G2APLA2G5FFAR1HTTHSD17B3
SCHEMBL7773832 0.78 PLA2G2A (0.53) PLA2G2APLA2G5FFAR1HTTHSD17B3
SCHEMBL7773963 0.78 PLA2G2A (0.53) PLA2G2APLA2G5FFAR1HTTHSD17B3
SCHEMBL9468226 0.78 PLA2G2A (0.53) PLA2G2APLA2G5FFAR1HTTHSD17B3
SCHEMBL28076672 0.77 THRA (0.55) PLA2G2APLA2G5FFAR1HTTHSD17B3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed